2,6-dichloro-N-[1-(chloromethyl)cyclopentyl]benzamide

C13H14Cl3NO — CID 114300519

IUPAC2,6-dichloro-N-[1-(chloromethyl)cyclopentyl]benzamide
SMILESO=C(NC1(CCl)CCCC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H14Cl3NO/c14-8-13(6-1-2-7-13)17-12(18)11-9(15)4-3-5-10(11)16/h3-5H,1-2,6-8H2,(H,17,18)
InChIKeyLXGRYARHOVJEOI-UHFFFAOYSA-N
MW306.62 g/mol
LogP4.27
Rot. Bonds3

About 2,6-dichloro-N-[1-(chloromethyl)cyclopentyl]benzamide

2,6-dichloro-N-[1-(chloromethyl)cyclopentyl]benzamide (PubChem CID 114300519) has the molecular formula C13H14Cl3NO and a molecular weight of 306.62 g/mol. Its IUPAC name is 2,6-dichloro-N-[1-(chloromethyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[1-(chloromethyl)cyclopentyl]benzamide
PubChem CID114300519
Molecular FormulaC13H14Cl3NO
Molecular Weight306.62 g/mol
Exact Mass305.01
IUPAC Name2,6-dichloro-N-[1-(chloromethyl)cyclopentyl]benzamide
SMILESO=C(NC1(CCl)CCCC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H14Cl3NO/c14-8-13(6-1-2-7-13)17-12(18)11-9(15)4-3-5-10(11)16/h3-5H,1-2,6-8H2,(H,17,18)
InChIKeyLXGRYARHOVJEOI-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.62
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62519426
N-[1-(chloromethyl)cyclohexyl]-2,6-dimethoxybenzamide
CID 114303510
2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-6-nitrobenzamide
CID 63658968
N-[1-(chloromethyl)cyclopentyl]-3-hydroxybenzamide
CID 114300478
2-chloro-N-[1-(chloromethyl)cyclohexyl]-5-hydroxybenzamide
CID 106503132
2,6-dichloro-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113651
4-bromo-N-[1-(chloromethyl)cyclopentyl]-2,6-difluorobenzamide
CID 114300674
N-(1-carbamothioylcyclohexyl)-2,6-dichlorobenzamide
CID 61118938
2,3-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55081718
3-bromo-N-[1-(chloromethyl)cyclopentyl]-2-fluorobenzamide
CID 107956670
N-[1-(chloromethyl)cyclopentyl]thiophene-3-carboxamide
CID 114300617
N-[1-(chloromethyl)cyclopentyl]-3-methylsulfonylbenzamide
CID 114300601

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[1-(chloromethyl)cyclopentyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[1-(chloromethyl)cyclopentyl]benzamide (CID 114300519) is 2,6-dichloro-N-[1-(chloromethyl)cyclopentyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[1-(chloromethyl)cyclopentyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[1-(chloromethyl)cyclopentyl]benzamide is O=C(NC1(CCl)CCCC1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[1-(chloromethyl)cyclopentyl]benzamide?
The InChIKey is LXGRYARHOVJEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl3NO/c14-8-13(6-1-2-7-13)17-12(18)11-9(15)4-3-5-10(11)16/h3-5H,1-2,6-8H2,(H,17,18).
What are the key properties of 2,6-dichloro-N-[1-(chloromethyl)cyclopentyl]benzamide?
2,6-dichloro-N-[1-(chloromethyl)cyclopentyl]benzamide has a molecular weight of 306.62 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[1-(chloromethyl)cyclopentyl]benzamide is sourced from PubChem (CID 114300519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).